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	hartrees
Energy at 0K	-1916.949421
Energy at 298.15K	-1916.949411
Nuclear repulsion energy	489.309510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1631	1562	0.00
2	A_g	448	430	0.00
3	A_g	242	232	0.00
4	A_u	97	93	0.00
5	B_1u	774	741	77.09
6	B_1u	318	304	0.04
7	B_2g	538	515	0.00
8	B_2u	890	853	218.94
9	B_2u	181	173	0.96
10	B_3g	978	937	0.00
11	B_3g	345	331	0.00
12	B_3u	295	283	0.27

Atom	y (Å)	z (Å)
C1	0.000	0.673
C2	0.000	-0.673
Cl3	1.461	1.602
Cl4	-1.461	1.602
Cl5	-1.461	-1.602
Cl6	1.461	-1.602

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3467	1.7315	1.7315	2.7044	2.7044
C2	1.3467		2.7044	2.7044	1.7315	1.7315
Cl3	1.7315	2.7044		2.9223	4.3370	3.2046
Cl4	1.7315	2.7044	2.9223		3.2046	4.3370
Cl5	2.7044	1.7315	4.3370	3.2046		2.9223
Cl6	2.7044	1.7315	3.2046	4.3370	2.9223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.447	C1	C2	Cl6	122.447
C2	C1	Cl3	122.447	C2	C1	Cl4	122.447
Cl3	C1	Cl4	115.106	Cl5	C2	Cl6	115.106

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.174
2	C	-0.174
3	Cl	0.087
4	Cl	0.087
5	Cl	0.087
6	Cl	0.087

<r²>	362.632
(<r²>)^1/2	19.043

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)